9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one

C22H18FN7O2 — CID 54767040

IUPAC9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
SMILESCC1(C)CC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)c2cccnc2O1
InChIInChI=1S/C22H18FN7O2/c1-22(2)8-15(13-4-3-7-24-20(13)32-22)30-19-14(27-21(30)31)9-26-18(28-19)16-10-25-17-6-5-12(23)11-29(16)17/h3-7,9-11,15H,8H2,1-2H3,(H,27,31)
InChIKeyRXYCSVDFDKVQPQ-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.12
Rot. Bonds2

About 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one

9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one (PubChem CID 54767040) has the molecular formula C22H18FN7O2 and a molecular weight of 431.43 g/mol. Its IUPAC name is 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one.

Molecular Properties

Compound Name9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
PubChem CID54767040
Molecular FormulaC22H18FN7O2
Molecular Weight431.43 g/mol
Exact Mass431.15
IUPAC Name9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
SMILESCC1(C)CC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)c2cccnc2O1
InChIInChI=1S/C22H18FN7O2/c1-22(2)8-15(13-4-3-7-24-20(13)32-22)30-19-14(27-21(30)31)9-26-18(28-19)16-10-25-17-6-5-12(23)11-29(16)17/h3-7,9-11,15H,8H2,1-2H3,(H,27,31)
InChIKeyRXYCSVDFDKVQPQ-UHFFFAOYSA-N
XLogP3.12
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one?
The IUPAC name of 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one (CID 54767040) is 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one.
What is the SMILES notation for 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one?
The canonical SMILES for 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one is CC1(C)CC(n2c(=O)[nH]c3cnc(-c4cnc5ccc(F)cn45)nc32)c2cccnc2O1.
What is the InChIKey of 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one?
The InChIKey is RXYCSVDFDKVQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O2/c1-22(2)8-15(13-4-3-7-24-20(13)32-22)30-19-14(27-21(30)31)9-26-18(28-19)16-10-25-17-6-5-12(23)11-29(16)17/h3-7,9-11,15H,8H2,1-2H3,(H,27,31).
What are the key properties of 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one?
9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one has a molecular weight of 431.43 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one is sourced from PubChem (CID 54767040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).